title: Application of chromatographic data in QSAR Studies of 3-[ω-(4-Arylpiperazin-1-yl)alkyl]pyrimido[5,4-c]quinolin-4(3H)-one derivatives as 5-HT1A receptor ligands.
abstract: The activity of several 3-[ω-(4-arylpiperazin-1-yl)alkyl]pyrimido[5,4-c]quinolin-4(3H)-ones (LCAPs) with well-defined serotonin 1A (5-HT1A) receptor affinity was described by using chromatographic and calculated physicochemical parameters in quantitative structure-activity relationship analysis. Normal-phase thin-layer chromatography plates impregnated with solutions of L-aspartic acid, L-serine, L-phenylalanine, L-tryptophan, L-tyrosine, L-asparagine, L-threonine and their mixtures (denoted as S1-S11 biochromatographic models) were used with two mobile phases as a model of the interaction between LCAP and 5-HT1A receptors. Molecular descriptors for the investigated compounds were calculated by using HyperChem and ACD/Labs programs. The significant relationship explains that 82% of the variance was successfully validated by leave-one-out and leave-many-out tests. The results demonstrated that this model has significant predictive ability and can be used for the preliminary screening of newly synthesized potential 5-HT1A receptor ligands.
authors.affiliation: Department of Analytical Chemistry, Faculty of Pharmacy, Medical University of Lodz, 1 Muszyńskiego Street, 90-151 Łódź, Poland grazyna.zydek@umed.lodz.pl.
authors.forename: Grażyna
authors.initials: G
authors.lastname: Żydek
authors.affiliation: Department of Analytical Chemistry, Faculty of Pharmacy, Medical University of Lodz, 1 Muszyńskiego Street, 90-151 Łódź, Poland.
authors.forename: Elżbieta
authors.initials: E
authors.lastname: Brzezińska
authors.affiliation: Department of Hospital Pharmacy, Faculty of Pharmacy, Medical University of Lodz, 1 Muszyńskiego Street, 90-151 Łódź, Poland.
authors.forename: Andrzej
authors.initials: A
authors.lastname: Stańczak
authors.affiliation: Department of Hospital Pharmacy, Faculty of Pharmacy, Medical University of Lodz, 1 Muszyńskiego Street, 90-151 Łódź, Poland.
authors.forename: Wiesława
authors.initials: W
authors.lastname: Lewgowd
mesh_terms: D000596:Amino Acids / Q000737:chemistry / Q000378:metabolism; D002855:Chromatography, Thin Layer / Q000379:methods*; D055808:Drug Discovery; D008024:Ligands; D016014:Linear Models; D008956:Models, Chemical; D010879:Piperazines / Q000032:analysis / Q000737:chemistry* / Q000378:metabolism*; D021281:Quantitative Structure-Activity Relationship; D044282:Receptor, Serotonin, 5-HT1A; D015203:Reproducibility of Results
chemical_list: D000596:Amino Acids; D008024:Ligands; D010879:Piperazines; D044282:Receptor, Serotonin, 5-HT1A